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A1EMD

Summary
Name:N-[5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
Formula:C21 H19 N5 O3 S2
Formal charge:0
Formula weight:453.537 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[5-[[3-(dimethylamino)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H19N5O3S2/c1-26(2)18-9-5-8-17(13-18)25-31(28,29)21-24-23-20(30-21)22-19(27)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3,(H,22,23,27)
InChIKeyInChI1.06NBMBYKDETHCBSW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccccc4c3)nn2)c1
SMILESCACTVS3.385CN(C)c1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccccc4c3)nn2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3
SMILESOpenEye OEToolkits2.0.7CN(C)c1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3

250359

PDB entries from 2026-03-11

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